1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine

C17H28N2 — CID 112677950

IUPAC1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCC(C)C1
InChIInChI=1S/C17H28N2/c1-4-11-18-16(5-2)15-8-6-7-9-17(15)19-12-10-14(3)13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyACMPYGGWHGXCNB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds6

About 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine

1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 112677950) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
PubChem CID112677950
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCC(C)C1
InChIInChI=1S/C17H28N2/c1-4-11-18-16(5-2)15-8-6-7-9-17(15)19-12-10-14(3)13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyACMPYGGWHGXCNB-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995308
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
N-[1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82971808
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine (CID 112677950) is 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1N1CCC(C)C1.
What is the InChIKey of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is ACMPYGGWHGXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-18-16(5-2)15-8-6-7-9-17(15)19-12-10-14(3)13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine?
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 112677950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).